2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride

C9H11ClF2N2O — CID 130684116

IUPAC2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C9H10F2N2O.ClH/c10-7-2-1-3-8(11)6(7)5-13-9(14)4-12;/h1-3H,4-5,12H2,(H,13,14);1H
InChIKeyWKNSTURJTDYOLL-UHFFFAOYSA-N
MW236.65 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride

2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 130684116) has the molecular formula C9H11ClF2N2O and a molecular weight of 236.65 g/mol. Its IUPAC name is 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
PubChem CID130684116
Molecular FormulaC9H11ClF2N2O
Molecular Weight236.65 g/mol
Exact Mass236.05
IUPAC Name2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C9H10F2N2O.ClH/c10-7-2-1-3-8(11)6(7)5-13-9(14)4-12;/h1-3H,4-5,12H2,(H,13,14);1H
InChIKeyWKNSTURJTDYOLL-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2,3-difluorophenyl)methyl]acetamide
CID 82670923
N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
CID 164823078
N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 146597480
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
CID 110838253
N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807165
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
(2,6-difluorophenyl)methylthiourea;hydrobromide
CID 173140070
N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
CID 94688694
1-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 16909292

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride (CID 130684116) is 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1c(F)cccc1F.
What is the InChIKey of 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is WKNSTURJTDYOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O.ClH/c10-7-2-1-3-8(11)6(7)5-13-9(14)4-12;/h1-3H,4-5,12H2,(H,13,14);1H.
What are the key properties of 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride?
2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 236.65 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 130684116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).